Crystal Structure and Thermal Property of 1-Ethyl Acetate Pyridinium Ionic Liquid

2016 ◽  
Vol 717 ◽  
pp. 73-76
Author(s):  
Ya Mei Zhao ◽  
Yan Su ◽  
Hong Meng Cui ◽  
Chang Zheng Zheng ◽  
Jing Yang
Keyword(s):  
Crystal Structure ◽  
Ionic Liquid ◽  
Ethyl Acetate ◽  
High Thermal Stability ◽  
Monoclinic Space Group ◽  
Solvent Evaporation Method ◽  
Cooling Process ◽  
Unit Cell Parameters ◽  
Step Process ◽  
Cell Parameters

[EAPy][PF6] Pyridinium ionic liquid was synthesized by two-step process: introduction of one ethyl acetate group and anions metathesis. Additionally, single crystals of the IL was first obtained by solvent-evaporation method in growth systems. [EAPy][PF6] crystallizes in the monoclinic space group C2/c, with unit cell parameters a =22.748 Å, b =6.204 Å, c =18.552 Å, β =92.66°, z =8,V=2615(3) Å, Dc =1.58 Mg/m3 and F(000)=1264. In its supramolecular structure, the double zigzag chains are formed by hydrogen bonds and these [P(1)F6]- and [P(2)F6]- anions are sandwiched respectively by pyridinium rings and ethyl acetate groups in the packing pattern. Moreover, [EAPy][PF6] exhibits relatively high thermal stability and obvious supercooling during the cooling process, which makes pyridinium IL difficult to crystallize.

Synthesis and crystal structure of the rare earth borogermanate EuGeBO5

2017 ◽  
Vol 72 (2) ◽  
pp. 95-99 ◽  
Author(s):  
Yang Chi ◽  
Yan Zhuang ◽  
Sheng-Ping Guo
Keyword(s):  
Crystal Structure ◽  
Rare Earth ◽  
Earth Metal ◽  
Monoclinic Space Group ◽  
Unit Cell Parameters ◽  
Synthesis And Crystal Structure ◽  
Cell Parameters ◽  
Type Layer ◽  
Related Compounds ◽  
The Rare Earth

AbstractThe synthesis and crystal structure of the rare earth borogermanate EuGeBO5 are reported. It is synthesized by high-temperature solid-state reaction and crystallizes in the monoclinic space group P21/c (no. 14) with the unit cell parameters a=4.8860(5), b=7.5229(8), c=9.9587(10) Å, and β=91.709(3)°. Its crystal structure features a polyanion-type layer (GeBO5)3− constructed by BO4 and GeO4 tetrahedra connected alternatingly. Eu3+ ions are located in cavities and are coordinated by eight O atoms. Various structures of the related compounds REMM′O5 (RE=rare earth metal; M=Si, Ge, and Sn; M′=B, Al, and Ga) are also discussed.

Synthesis and Spectroscopic Investigations of New Linear Heterobimetallic Clusters [Me4N]3[(TOS3 )2Ag] (T = Mo, W). Crystal Structure of [Me4N]3[(MoOS3 )2Ag]

2000 ◽  
Vol 55 (3-4) ◽  
pp. 238-242 ◽  
Author(s):  
A. B. M. Shamsur Rahman ◽  
H. Boiler ◽  
K. O. Klepp
Keyword(s):  
Crystal Structure ◽  
Mass Spectra ◽  
Room Temperature ◽  
Trinuclear Complex ◽  
Monoclinic Space Group ◽  
Unit Cell Parameters ◽  
Absorption Bands ◽  
Variable Parameters ◽  
Cell Parameters ◽  
Complex Anions

Abstract Red-brown crystals of a new bis(thiomolybdate) complex [Me4N]3[(MoOS3)2Ag] were formed at room temperature through the reaction of a solution of [Me4N]2[MoOS3] in MeCN with solid AgCN. They are monoclinic, space group P21/c with unit cell parameters a = 16.662(9), b = 9.464(3), c = 17.890(8) A, /3 = 101.87(2)°, Z = 4. The crystal structure was determined from single crystal diffractometer data (MoKα-radiation) and refined to R = 0.044 (3614 reflections, 236 variable parameters). The structure is characterized by trinuclear complex anions, [(MoOS3)2Ag]3-. According to Weissenberg investigations the homologous tungsten compound is isostructural. The infrared spectrum of the molybdenum complex (KBr powder) shows absorption bands at 884 (vs) and 871 (w) cm-1 (terminal v(Mo-0)), 483 (vs) cm-1 (terminal v(Mo-S)), 451 (vs), and 435 (w) cm-1 (bridging v(Mo-S)). The tungsten complex showed bands at 901 (vs) cm-1 (terminal v(W-O)), 478 (vs) cm-1 (terminal v(W-S)), and 435 (vs) cm-1 (bridging v(W-S)). The anionic mass spectra shows molecular ion peaks at m/z 524 and 700 for [(MoOS3)2Ag]- and [(WOS3)2Ag]-, respectively, as well as peaks for other fragments.

Preparation and crystal structure of SbV1.50InIII0.50(PO4)3 and (SbV0.50InIII0.50)P2O7

2008 ◽  
Vol 23 (3) ◽  
pp. 232-240
Author(s):  
Abderrahim Aatiq ◽  
Rachid Bakri ◽  
Aaron Richard Sakulich
Keyword(s):  
Crystal Structure ◽  
Solid State ◽  
Room Temperature ◽  
Rietveld Method ◽  
Monoclinic Space Group ◽  
Unit Cell Parameters ◽  
Orthorhombic System ◽  
Space Group ◽  
X Ray ◽  
Cell Parameters

Synthesis and structure of two phosphates belonging to the ternary Sb2O5–In2O3–P2O5 system are realized. Structures of SbV1.50InIII0.50(PO4)3 and (SbV0.50InIII0.50)P2O7 phases, obtained by solid state reaction in air at 950 °C, were determined at room temperature from X-ray powder diffraction using the Rietveld method. SbV1.50InIII0.50(PO4)3 have a monoclinic (space group P21/n) distortion of the Sc2(W O4)3-type framework. Its structure is constituted by corner-shared SbO6 or InO6 octahedra and PO4 tetrahedra. Monoclinic unit cell parameters are a=11.801(2) Å, b=8.623(1) Å, c=8.372(1) Å, and β=90.93(1)°. (Sb0.50In0.50)P2O7 is isotypic with (Sb0.50Fe0.50)P2O7 and crystallizes in orthorhombic system (space group Pna21) with a=7.9389(1) Å, b=16.0664(2) Å, and c=7.9777(1) Å. Its structure is built up from corner-shared SbO6 or InO6 octahedra and P2O7 groups (two group-types). Each P2O7 group shares its six vertices with three SbO6 and three InO6 octahedra, and each octahedron is connected to six P2O7 groups.

The crystal structure of Cu2GeSe3 and the structure-types of the I2-IV-VI3 family of semiconducting compounds

2021 ◽  
Vol 77 (1) ◽  
pp. 158-167
Author(s):  
Analio Dugarte-Dugarte ◽  
Nahum Ramírez Pineda ◽  
Luis Nieves ◽  
José Antonio Henao ◽  
Graciela Díaz de Delgado ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Unit Cell ◽  
Monoclinic Space Group ◽  
Unit Cell Parameters ◽  
Orthorhombic Space Group ◽  
Initial Report ◽  
Space Group ◽  
Cell Parameters ◽  
Semiconducting Compounds ◽  
Bond Valence Model

Almost 50 years after the initial report, the crystal structure of Cu2GeSe3, a I2-IV-VI3 semiconductor, has been revised using modern single-crystal X-ray diffraction data. The structure of this material can be properly described in the monoclinic space group Cc (No. 9) with unit-cell parameters a = 6.7703 (4) Å, b = 11.8624 (5) Å, c = 6.7705 (4) Å, β = 108.512 (6)°, V = 515.62 (5) Å3, Z = 4, rather than in the orthorhombic space group Imm2 (No. 44) with unit-cell parameters a = 11.860 (3), b = 3.960 (1), c = 5.485 (2) Å, V = 257.61 Å3, Z = 2, as originally proposed [Parthé & Garín (1971). Monatsh. Chem. 102, 1197–1208]. Contrary to what was observed in the orthorhombic structure, the distortions of the tetrahedra in the monoclinic structure are consistent with the distortions expected from considerations derived from the bond valence model. A brief revision of the structures reported for the I2-IV-VI3 family of semiconducting compounds (I: Cu, Ag; IV: Si, Ge, Sn; and VI: S, Se, Te) is also presented.

Molecular and crystal structure of a copper(II) complex of sildenafil

2021 ◽  
Vol 0 (0) ◽  
Author(s):  
Akhmatkhodja N. Yunuskhodjayev ◽  
Shokhista F. Iskandarova ◽  
Vahobjon Kh. Sabirov
Keyword(s):  
Crystal Structure ◽  
Single Crystal ◽  
Unit Cell ◽  
Monoclinic Space Group ◽  
X Ray Diffraction ◽  
Unit Cell Parameters ◽  
Piperazine Ring ◽  
Space Group ◽  
X Ray ◽  
Cell Parameters

Abstract The crystal structure of a copper(II) complex of protonated sildenafil, CuCl3C22H31N6O4S⋅2H2O was studied by single crystal X-ray diffraction. The compound crystallizes in the monoclinic space group P21/n with the unit cell parameters a = 15.4292(2), b = 9.06735(12), c = 21.1752(2) Å, V = 2945.48(7) Å3, Z = 4. The Cu atom is coordinated by the sildenafil ligand via the N2 atom of the pyrazolopyrimidine ring and by three chloride anions. Sildenafil is protonated at the methylated N6 atom of the piperazine ring and it is cation ligand with a 1+ charge.

Oxide meets silicide – synthesis and single-crystal structure of Ca21SrSi24O2

2017 ◽  
Vol 72 (4) ◽  
pp. 313-316
Author(s):  
Olaf Reckeweg ◽  
Francis J. DiSalvo
Keyword(s):  
Crystal Structure ◽  
Calcium Ions ◽  
Title Compound ◽  
Silicon Powder ◽  
Thin Plates ◽  
Monoclinic Space Group ◽  
Strontium Chloride ◽  
Unit Cell Parameters ◽  
Cell Parameters ◽  
Calcium Metal

AbstractA few black, rectangular thin plates of Ca21SrSi24O2 were obtained by serendipity in a solid-state reaction of calcium metal, strontium chloride and silicon powder at 1200 K for 2 days designed to produce ‘Ca2SrCl2[Si3]’. The title compound forms next to some CaSi and some remaining educts. Ca21SrSi24O2 crystallizes in the monoclinic space group C2/m (no. 12) with unit cell parameters of a=1895.2(2), b=450.63(5) and c=1397.33(18) pm and β=112.008(7)° (Z=1). The title compound shows planar, eight-membered, kinked Si8 chains with Si–Si distances between 241.4 and 245.0 pm indicating bonding interactions and kinked ‘rope ladders’ connecting the chains with interatomic Si–Si distances in the range 268.1–274.7 pm. Embedded in between these silicon substructures are columns of oxygen centered, apex sharing [(Ca1−x Srx)6/2O] octahedra and calcium ions.

scholarly journals Expression, crystallization and preliminary X-ray analysis of McbB, a multifunctional enzyme involved in β-carboline skeleton biosynthesis

2014 ◽  
Vol 70 (10) ◽  
pp. 1402-1405 ◽  
Author(s):  
Hua Wang ◽  
Huaidong Zhang ◽  
Yanling Mi ◽  
Jianhua Ju ◽  
Qi Chen ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Data Analysis ◽  
Preliminary Data ◽  
Catalytic Mechanism ◽  
Monoclinic Space Group ◽  
Unit Cell Parameters ◽  
X Ray ◽  
Cell Parameters ◽  
Therapeutic Value ◽  
Ring Structures

β-Carboline alkaloids (βCs), with tricyclic pyrido[3,4-b]indole rings, have important pharmacological and therapeutic value. In the biosynthesis of βCs, the Pictet–Spengler (PS) cyclization reaction is responsible for the formation of ring structures. McbB is one of a few enzymes that are known to catalyse PS cyclization. It can also catalyse decarboxylation and oxidation. Here, the expression, crystallization and preliminary data analysis of McbB are reported. The crystals diffracted to 2.10 Å resolution and belonged to the monoclinic space groupP21, with unit-cell parametersa= 66.06,b= 85.48,c= 106.19 Å, α = 90.00, β = 106.77, γ = 90.00°. These results provide a basis for solving the crystal structure and elucidating the catalytic mechanism for McbB.

scholarly journals Synthesis and spectroscopic properties of geminal-bis(tertbutylamino) phosphazenes obtained by the reaction of spiro and ansa phenoxyphosphazenes with the tert-butylamine and the crystal structure of 2,2-[2,2’-metheylenebis(4-chlorophenoxy)]-4,4-bis(tert-butylamino)-6,6-dichlorocyclo- 2λ5,4λ5,6λ5-triphosphazatriene

2011 ◽  
Vol 76 (6) ◽  
pp. 831-840
Author(s):  
Diğdem Erdener ◽  
Mustafa Yildiz ◽  
Hüseyin Ünver ◽  
Ocak İskeleli ◽  
Nuri Durlu
Keyword(s):  
Crystal Structure ◽  
31P Nmr ◽  
Spectroscopic Properties ◽  
Monoclinic Space Group ◽  
Spectroscopic Techniques ◽  
Unit Cell Parameters ◽  
X Ray ◽  
Cell Parameters ◽  
X Ray Crystallography ◽  
Tert Butylamine

The condensation reactions of partly substituted spiro and ansa phenoxycyclotriphosphazenes, N3P3[2,2'-methylenebis(4-chlorophenoxide)]Cl4 (1 and 2) with tert-butylamine produce disubstituted geminal-bis(tert-butylamino)phenoxyphosphazene derivatives (3 and 4). The structures of these compounds were characterized by elemental analysis, and IR, 1H-, 13C-, 31P-NMR and mass spectroscopic techniques. Compound 3 was also examined by X-ray crystallography and found to be crystallized in the monoclinic space group P21/n with the unit cell parameters: a = 10.842(4), b = 9.375(5), c = 29.104(11) ?, ? = 99.25(3)?, V = 2920(2) ?3, Dx = 1.404 g cm-3.

Preparation of Iodotris(dithiocarbamato)tellurium(Iv) Complexes, and Crystal Structure of Iodotris(piperidine-1-carbodithioato)tellurium(IV)

1989 ◽  
Vol 42 (6) ◽  
pp. 969 ◽  
Author(s):  
S Chidambaram ◽  
G Aravamudan ◽  
M Seshasayee ◽  
MR Snow ◽  
ERT Tiekink
Keyword(s):  
Crystal Structure ◽  
Iodine Atom ◽  
Crystal Structure Analysis ◽  
Monoclinic Space Group ◽  
Methyl Ethyl ◽  
Replacement Reaction ◽  
Tellurium Atom ◽  
Unit Cell Parameters ◽  
Cell Parameters ◽  
Single Crystal Structure Analysis

Mixed iodotris ( dithiocarbamato )tellurium(IV) complexes TeL3I (where L- = R1R2NCS2-) have been synthesized with the use of the oxidative replacement reaction via the interaction of TeL4 with iodine. Thus, complexes with R1 = R2 = methyl, ethyl, isopropyl, propyl, and with R1R2N= piperidinyl * have been prepared. A single-crystal structure analysis of one of these, iodotris ( piperidine dithiocarbamato )tellurium, is also reported. In the structure the tellurium atom exists in a distorted pentagonal-bipyramidal environment with the iodine atom and one sulfur atom occupying axial positions. The axial Te-S bond of 2.555(2) � is shorter than the remaining Te-S bonds in the complex [range 2.671(2)-2.722(2) � ]. Crystals are monoclinic, space group P2I/n with unit cell parameters a 9.891(2), b 18.889(2), c 14.762(2) �, β 98.85(2) and Z 4. The structure was refined to final R 0.035 and RW 0.052 for 3283 reflections with 1≥ 1.25 σI).

scholarly journals Synthesis, Characterization and Crystal Structure of Bis-(2-Hydroxybenzaldehyde)Diaminoguanizone

2008 ◽  
Vol 3 (2) ◽  
pp. 119-121
Author(s):  
Diana Dragancea ◽  
Vladimir B. Arion ◽  
Sergiu Shova
Keyword(s):  
Crystal Structure ◽  
Lone Pair ◽  
Azomethine Nitrogen ◽  
Monoclinic Space Group ◽  
X Ray Diffraction ◽  
Unit Cell Parameters ◽  
X Ray ◽  
Cell Parameters ◽  
Planar Conformation ◽  
Intramolecular Hydrogen

The new ligand, bis(2-hydroxybenzaldehyde)diaminoguanizone (1) has been synthesized and characterized by elemental analysis, IR and 1H NMR spectroscopies. The crystal structure of the compound was determined by X-ray diffraction. The ligand C15H15N5O2·C2H5OH crystallizes in the monoclinic space group P21/c with unit cell parameters a = 8.9102(3), b = 10.0357(3), c = 19.7618(6) Å, β = 98.385(2)°, Z = 4, V = 1748.21(9) Å3, R1 = 0.040. The amino form of the ligand adopts a planar conformation stabilized by two intramolecular hydrogen bonds of the type O–H···N, in which the H atoms of the central amino group are directed to the lone-pair regions of the azomethine nitrogen atoms.

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